N-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide

C28H30N4O3 — CID 73159722

IUPACN-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide
SMILESO=CN1CCC(CCCNC(=O)Cn2cc(C=C3C(=O)Nc4ccccc43)c3ccccc32)CC1
InChIInChI=1S/C28H30N4O3/c33-19-31-14-11-20(12-15-31)6-5-13-29-27(34)18-32-17-21(22-7-2-4-10-26(22)32)16-24-23-8-1-3-9-25(23)30-28(24)35/h1-4,7-10,16-17,19-20H,5-6,11-15,18H2,(H,29,34)(H,30,35)
InChIKeyUVSZMKBCQHELEI-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.90
Rot. Bonds8

About N-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide

N-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide (PubChem CID 73159722) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide
PubChem CID73159722
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide
SMILESO=CN1CCC(CCCNC(=O)Cn2cc(C=C3C(=O)Nc4ccccc43)c3ccccc32)CC1
InChIInChI=1S/C28H30N4O3/c33-19-31-14-11-20(12-15-31)6-5-13-29-27(34)18-32-17-21(22-7-2-4-10-26(22)32)16-24-23-8-1-3-9-25(23)30-28(24)35/h1-4,7-10,16-17,19-20H,5-6,11-15,18H2,(H,29,34)(H,30,35)
InChIKeyUVSZMKBCQHELEI-UHFFFAOYSA-N
XLogP3.90
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]-N-(4-phenylbutyl)acetamide
CID 143304651
2-[3-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]-N-(3-phenylpropyl)acetamide
CID 11977997
2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]-N-(4-phenylbutyl)acetamide
CID 73159721
3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 3419928
2-[3-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 21370038
(3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 143304674
3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one
CID 3958106
(3E)-3-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21374196
10-[(2R)-2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one
CID 155810643
(3E)-3-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21374195
N-benzyl-2-[3-[(Z)-(1-benzyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetamide
CID 1265951
N-benzyl-2-[3-[(1-benzyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetamide
CID 1265950

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide?
The IUPAC name of N-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide (CID 73159722) is N-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide.
What is the SMILES notation for N-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide?
The canonical SMILES for N-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide is O=CN1CCC(CCCNC(=O)Cn2cc(C=C3C(=O)Nc4ccccc43)c3ccccc32)CC1.
What is the InChIKey of N-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide?
The InChIKey is UVSZMKBCQHELEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c33-19-31-14-11-20(12-15-31)6-5-13-29-27(34)18-32-17-21(22-7-2-4-10-26(22)32)16-24-23-8-1-3-9-25(23)30-28(24)35/h1-4,7-10,16-17,19-20H,5-6,11-15,18H2,(H,29,34)(H,30,35).
What are the key properties of N-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide?
N-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide has a molecular weight of 470.57 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide is sourced from PubChem (CID 73159722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).